CID 1096293

2-[5-(4-chlorophenyl)-2h-1,2,3,4-tetrazol-2-yl]acetic acid

Structural Information

Molecular Formula
C9H7ClN4O2
SMILES
C1=CC(=CC=C1C2=NN(N=N2)CC(=O)O)Cl
InChI
InChI=1S/C9H7ClN4O2/c10-7-3-1-6(2-4-7)9-11-13-14(12-9)5-8(15)16/h1-4H,5H2,(H,15,16)
InChIKey
IFIZLMBMWFHCOO-UHFFFAOYSA-N
Compound name
2-[5-(4-chlorophenyl)tetrazol-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

238.02576 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03304 147.3
[M+Na]+ 261.01498 157.8
[M-H]- 237.01848 147.9
[M+NH4]+ 256.05958 161.2
[M+K]+ 276.98892 153.1
[M+H-H2O]+ 221.02302 138.2
[M+HCOO]- 283.02396 162.0
[M+CH3COO]- 297.03961 185.7
[M+Na-2H]- 259.00043 151.6
[M]+ 238.02521 149.5
[M]- 238.02631 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe